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4-(2',6'-Dimethylphenoxy)phthalonitrile

Catalog Number
ACM221302756
CAS Number
221302-75-6
Product Name
4-(2',6'-Dimethylphenoxy)phthalonitrile
Structure
Category
Phthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks
IUPAC Name
4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
Molecular Weight
248.28g/mol
Molecular Formula
C16H12N2O
Canonical SMILES
CC1=C(C(=CC=C1)C)OC2=CC(=C(C=C2)C#N)C#N
InChI
InChI=1S/C16H12N2O/c1-11-4-3-5-12(2)16(11)19-15-7-6-13(9-17)14(8-15)10-18/h3-8H,1-2H3
InChI Key
LJUVUOSWARAIBZ-UHFFFAOYSA-N
Purity
>99.0%(GC)
Complexity
392
Covalently-Bonded Unit Count
1
Exact Mass
248.094963g/mol
Formal Charge
0
Heavy Atom Count
19
Monoisotopic Mass
248.094963g/mol
Rotatable Bond Count
2
XLogP3
3.6
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